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Journal articles on the topic 'Potential energy surfaces – Congresses'

Author: Grafiati

Published: 29 July 2024

Last updated: 31 July 2025

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1

Moore, C. E., Allan Banks, and H. H. Jaffe. "Potential energy surfaces." Journal of Chemical Education 64, no. 5 (1987): 395. http://dx.doi.org/10.1021/ed064p395.

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2

Tonge, Kenneth H. "Potential energy surfaces." Journal of Chemical Education 65, no. 1 (1988): 65. http://dx.doi.org/10.1021/ed065p65.

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3

Gale, J. "Potential Energy Surfaces." EPJ Web of Conferences 14 (2011): 02002. http://dx.doi.org/10.1051/epjconf/20111402002.

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4

Wu, Yudong, Jeffrey D. Schmitt, and Roberto Car. "Mapping potential energy surfaces." Journal of Chemical Physics 121, no. 3 (2004): 1193–200. http://dx.doi.org/10.1063/1.1765651.

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5

Topaler, Maria S., Donald G. Truhlar, Xiao Yan Chang, Piotr Piecuch, and John C. Polanyi. "Potential energy surfaces of NaFH." Journal of Chemical Physics 108, no. 13 (1998): 5349–77. http://dx.doi.org/10.1063/1.475344.

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6

Qu, Chen, Qi Yu, and Joel M. Bowman. "Permutationally Invariant Potential Energy Surfaces." Annual Review of Physical Chemistry 69, no. 1 (2018): 151–75. http://dx.doi.org/10.1146/annurev-physchem-050317-021139.

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7

Fernández, Ariel. "Homology of Potential Energy Surfaces." Zeitschrift für Naturforschung A 41, no. 9 (1986): 1118–22. http://dx.doi.org/10.1515/zna-1986-0905.

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Abstract:

It is shown that all the adjacency relations for the basins of attraction of stable chemical species and transition states can be derived from the topology of the pattern of intrinsic-reaction-coordinate- and-separatix trajectories in the nuclear configuration space.The results are applied to thermal [1,3] sigmatropic rearrangements and they show that even the symmetry-forbidden path proceeds concertedly. The corresponding homological formulas giving the adjacency relations are derived.

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8

Fernandez, G. M., J. A. Sordo, and T. L. Sordo. "Analysis of potential energy surfaces." Journal of Chemical Education 65, no. 8 (1988): 665. http://dx.doi.org/10.1021/ed065p665.

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9

Tan, Hang, Muzhen Liao, and K. Balasubramanian. "Potential energy surfaces of RuCO." Chemical Physics Letters 284, no. 1-2 (1998): 1–5. http://dx.doi.org/10.1016/s0009-2614(97)01370-5.

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10

Tan, Hang, Muzhen Liao, and K. Balasubramanian. "Potential energy surfaces of OsCO." Chemical Physics Letters 290, no. 4-6 (1998): 458–64. http://dx.doi.org/10.1016/s0009-2614(98)00536-3.

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11

Tan, Hang, Muzhen Liao, Dingguo Dai, and K. Balasubramanian. "Potential energy surfaces of NbCO." Chemical Physics Letters 297, no. 3-4 (1998): 173–80. http://dx.doi.org/10.1016/s0009-2614(98)01145-2.

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12

Nichols, Jeff, Hugh Taylor, Peter Schmidt, and Jack Simons. "Walking on potential energy surfaces." Journal of Chemical Physics 92, no. 1 (1990): 340–46. http://dx.doi.org/10.1063/1.458435.

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13

Xu, F. R., P. M. Walker, J. A. Sheikh, and R. Wyss. "Multi-quasiparticle potential-energy surfaces." Physics Letters B 435, no. 3-4 (1998): 257–63. http://dx.doi.org/10.1016/s0370-2693(98)00857-0.

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14

Dai, Dingguo, and K. Balasubramanian. "Potential energy surfaces for OsH2." Theoretica Chimica Acta 83, no. 1-2 (1992): 141–54. http://dx.doi.org/10.1007/bf01113247.

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15

Atchity, Gregory J., Sotirios S. Xantheas, and Klaus Ruedenberg. "Potential energy surfaces near intersections." Journal of Chemical Physics 95, no. 3 (1991): 1862–76. http://dx.doi.org/10.1063/1.461036.

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16

Western, C. M. "Spectroscopy and potential energy surfaces." Chemical Society Reviews 24, no. 4 (1995): 299. http://dx.doi.org/10.1039/cs9952400299.

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17

Bernier, Anne, and Philippe Millié. "Potential energy surfaces of HgH2." Chemical Physics Letters 134, no. 3 (1987): 245–50. http://dx.doi.org/10.1016/0009-2614(87)87129-4.

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18

Jo/rgensen, Solvejg, Mark A. Ratner, and Kurt V. Mikkelsen. "Potential energy surfaces of image potential states." Journal of Chemical Physics 114, no. 8 (2001): 3790–99. http://dx.doi.org/10.1063/1.1342860.

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19

M. Neumark, Daniel. "Spectroscopy of reactive potential energy surfaces." PhysChemComm 5, no. 11 (2002): 76. http://dx.doi.org/10.1039/b202218d.

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20

Schwenke, David W., Susan C. Tucker, Rozeanne Steckler, et al. "Global potential‐energy surfaces for H2Cl." Journal of Chemical Physics 90, no. 6 (1989): 3110–20. http://dx.doi.org/10.1063/1.455914.

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21

Nerlo-Pomorska, B., K. Pomorski, C. Schmitt, and J. Bartel. "Potential energy surfaces of Polonium isotopes." Physica Scripta 90, no. 11 (2015): 114010. http://dx.doi.org/10.1088/0031-8949/90/11/114010.

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22

Bender, M., K. Rutz, P. G. Reinhard, J. A. Maruhn, and W. Greiner. "Potential energy surfaces of superheavy nuclei." Physical Review C 58, no. 4 (1998): 2126–32. http://dx.doi.org/10.1103/physrevc.58.2126.

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23

Rohrbacher, Andreas, Jason Williams, and Kenneth C. Janda. "Rare gas–dihalogen potential energy surfaces." Physical Chemistry Chemical Physics 1, no. 23 (1999): 5263–76. http://dx.doi.org/10.1039/a906664k.

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24

Evenhuis, Christian R., and Michael A. Collins. "Interpolation of diabatic potential energy surfaces." Journal of Chemical Physics 121, no. 6 (2004): 2515. http://dx.doi.org/10.1063/1.1770756.

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25

Frey, Regina F., and Ernest R. Davidson. "Potential energy surfaces of CH+4." Journal of Chemical Physics 88, no. 3 (1988): 1775–85. http://dx.doi.org/10.1063/1.454101.

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26

Xantheas, Sotiris S., Gregory J. Atchity, Stephen T. Elbert, and Klaus Ruedenberg. "Potential energy surfaces of ozone. I." Journal of Chemical Physics 94, no. 12 (1991): 8054–69. http://dx.doi.org/10.1063/1.460140.

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27

Hirschmann, T., B. Montag, and J. Meyer. "Potential energy surfaces of sodium clusters." Zeitschrift f�r Physik D Atoms, Molecules and Clusters 37, no. 1 (1996): 63–74. http://dx.doi.org/10.1007/s004600050010.

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28

Hirsch, Michael, and Wolfgang Quapp. "Newton leaves on potential energy surfaces." Theoretical Chemistry Accounts 113, no. 1 (2004): 58–62. http://dx.doi.org/10.1007/s00214-004-0608-x.

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29

Cassam-Chenaï, Patrick. "On non-adiabatic potential energy surfaces." Chemical Physics Letters 420, no. 4-6 (2006): 354–57. http://dx.doi.org/10.1016/j.cplett.2006.01.004.

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30

Wales, David J. "Potential energy surfaces and coordinate dependence." Journal of Chemical Physics 113, no. 9 (2000): 3926–27. http://dx.doi.org/10.1063/1.1288003.

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31

Das, Kalyan K., and K. Balasubramanian. "Potential energy surfaces for dihydridorhodium(1+)." Journal of Physical Chemistry 95, no. 18 (1991): 6880–83. http://dx.doi.org/10.1021/j100171a027.

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32

Jäckle, A., and H. ‐D Meyer. "Product representation of potential energy surfaces." Journal of Chemical Physics 104, no. 20 (1996): 7974–84. http://dx.doi.org/10.1063/1.471513.

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33

Majumder, Moumita, Steve Alexandre Ndengue, and Richard Dawes. "Automated construction of potential energy surfaces." Molecular Physics 114, no. 1 (2015): 1–18. http://dx.doi.org/10.1080/00268976.2015.1096974.

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34

Ischtwan, Josef, and Michael A. Collins. "Molecular potential energy surfaces by interpolation." Journal of Chemical Physics 100, no. 11 (1994): 8080–88. http://dx.doi.org/10.1063/1.466801.

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35

Ruedenberg, Klaus, and Jun‐Qiang Sun. "Gradient fields of potential energy surfaces." Journal of Chemical Physics 100, no. 8 (1994): 5836–48. http://dx.doi.org/10.1063/1.467147.

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36

Honda, Kazuhiko, and Koji Kato. "Potential energy surfaces for liquid water." Chemical Physics Letters 229, no. 1-2 (1994): 65–70. http://dx.doi.org/10.1016/0009-2614(94)01010-2.

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37

Soares, Cinthia S., and Clarissa O. da Silva. "Solvated potential energy surfaces for MePC." Structural Chemistry 22, no. 4 (2011): 885–91. http://dx.doi.org/10.1007/s11224-011-9775-2.

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38

Xantheas, Sotiris S., and Klaus Ruedenberg. "Potential energy surfaces of carbon dioxide." International Journal of Quantum Chemistry 49, no. 4 (1994): 409–27. http://dx.doi.org/10.1002/qua.560490408.

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39

Castaños, O., P. O. Hess, J. P. Draayer, and P. Rochford. "Microscopic interpretation of potential energy surfaces." Physics Letters B 277, no. 1-2 (1992): 27–32. http://dx.doi.org/10.1016/0370-2693(92)90951-y.

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40

Tran, Vinh, Alain Buleon, Anne Imberty, and Serge Perez. "Relaxed potential energy surfaces of maltose." Biopolymers 28, no. 2 (1989): 679–90. http://dx.doi.org/10.1002/bip.360280211.

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41

Bernardi, Fernando, Andrea Bottoni, Massimo Olivucci, Joseph J. W. McDouall, Michael A. Robb, and Glauco Tonachini. "Potential energy surfaces of cycloaddition reactions." Journal of Molecular Structure: THEOCHEM 165, no. 3-4 (1988): 341–51. http://dx.doi.org/10.1016/0166-1280(88)87031-3.

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42

Garrison, Barbara J., and Deepak Srivastava. "Potential Energy Surfaces for Chemical Reactions at Solid Surfaces." Annual Review of Physical Chemistry 46, no. 1 (1995): 373–96. http://dx.doi.org/10.1146/annurev.pc.46.100195.002105.

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43

Varga, Zoltan, Yang Liu, Jun Li, Yuliya Paukku, Hua Guo, and Donald G. Truhlar. "Potential energy surfaces for high-energy N + O2 collisions." Journal of Chemical Physics 154, no. 8 (2021): 084304. http://dx.doi.org/10.1063/5.0039771.

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44

Kratochvíl, Martin, Ola Engkvist, Jaroslav Vacek, Pavel Jungwirth, and Pavel Hobza. "Methylated uracil dimers: potential energy and free energy surfaces." Physical Chemistry Chemical Physics 2, no. 10 (2000): 2419–24. http://dx.doi.org/10.1039/b001022g.

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45

Klaiman, Shachar, and Nimrod Moiseyev. "Narrow resonances in complex potential energy surfaces." Journal of Physics B: Atomic, Molecular and Optical Physics 42, no. 4 (2009): 044004. http://dx.doi.org/10.1088/0953-4075/42/4/044004.

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46

Wille, L. T. "Searching potential energy surfaces by simulated annealing." Nature 324, no. 6092 (1986): 46–48. http://dx.doi.org/10.1038/324046a0.

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47

Wille, L. T. "Searching potential energy surfaces by simulated annealing." Nature 325, no. 6102 (1987): 374. http://dx.doi.org/10.1038/325374c0.

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48

Bitto, Herbert, Dean R. Guyer, William F. Polik, and C. Bradley Moore. "Dissociation on ground-state potential-energy surfaces." Faraday Discussions of the Chemical Society 82 (1986): 149. http://dx.doi.org/10.1039/dc9868200149.

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49

Galvão, B. R. L., V. C. Mota, and A. J. C. Varandas. "Modeling Cusps in Adiabatic Potential Energy Surfaces." Journal of Physical Chemistry A 119, no. 8 (2015): 1415–21. http://dx.doi.org/10.1021/jp512671q.

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50

Smith, Paul M., and Mario F. Borunda. "Torsional Potential Energy Surfaces of Dinitrobenzene Isomers." Advances in Condensed Matter Physics 2017 (2017): 1–7. http://dx.doi.org/10.1155/2017/3296845.

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Abstract:

The torsional potential energy surfaces of 1,2-dinitrobenzene, 1,3-dinitrobenzene, and 1,4-dinitrobenzene were calculated using the B3LYP functional with 6-31G(d) basis sets. Three-dimensional energy surfaces were created, allowing each of the two C-N bonds to rotate through 64 positions. Dinitrobenzene was chosen for the study because each of the three different isomers has widely varying steric hindrances and bond hybridization, which affect the energy of each conformation of the isomers as the nitro functional groups rotate. The accuracy of the method is determined by comparison with previo

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